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cifÌîдÎÊÌâ¡£ ÔÚcifÖмÓÉÏ£º _chemical_absolute_configuration ##¡£ ÆäÖÐ## ¿ÉÒÔÊÇ£º'rm', 'ad', 'rmad', 'syn', 'unk' or '.' , ¾ßÌ庬Ò壺 rm : absolute configuration established by the structure determination of a compound containing a chiral reference molecule of known absolute configuration. ad : absolute configuration established by anomalous dispersion effects in diffraction measurements on the crystal. rmad : absolute configuration established by the structure determination of a compound containing a chiral reference molecule of known absolute configuration and confirmed by anomalous dispersion effects in diffraction measurements on the crystal. syn : absolute configuration has not been established by anomalous dispersion effects in diffraction measurements on the crystal. The enantiomer has been assigned by reference to an unchanging chiral centre in the synthetic procedure. unk : absolute configuration is unknown, there being no firm chemical evidence for its assignment to hand and it having not been established by anomalous dispersion effects in diffraction measurements on the crystal. An arbitrary choice of enantiomer has been made. . : inapplicable. °´Êµ¼ÊÇé¿öÌîд°É¡£ |
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ÔÚcifÎļþ - refine-Is-structure-factor-coef Fsqd ÕâÒ»ÐÐÏÂÃæÖÐÌí¼Ó _chemical_absolute_configuration s ¾Í¿ÉÒÔÁË£¡ |
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